SCHEMBL29798894

SCHEMBL29798894

CS(=O)(=O)c1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.65
CDK2 P24941 20/20 0.65
CCND1 P24385 16/20 0.65
CDK6 Q00534 16/20 0.65
CDK4 P11802 4/20 0.65
CCND3 P30281 1/20 0.65
CCNT1 O60563 3/20 0.48
CDK9 P50750 3/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19863588 1.00 CCNE1 (0.65) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL29640940 0.87 CCND1 (0.60) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19857389 0.87 CCND1 (0.60) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL29507679 0.81 CDK2 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL31153373 0.81 CDK2 (0.58) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19857375 0.81 CDK2 (0.58) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL22860376 0.79 CCNE1 (0.44) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL26758841 0.79 CCNE1 (0.61) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL29799023 0.79 CDK2 (0.56) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL31153367 0.79 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394966-B Pyridopyrimidinone CDK2/4/6 inhibitors 辉瑞公司 2024-10-11 CN disclosed
US-20220324872-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2022-10-13 US disclosed
US-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220324872-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CCNE1 29/4885CDK2 1/4885CCND1 40/4885
US-11396512-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CCNE1 29/4885CDK2 1/4885CCND1 40/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.